Just to complete the set, in pdb-mode for emacs, if you do pdb-increment-centroid 0 0 0 (e.g. to move a molecule to the origin), it reports the original centroid.

Cheers,
Charlie

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Charlie Bond
Professorial Fellow
University of Western Australia
School of Biomedical, Biomolecular and Chemical Sciences
M310
35 Stirling Highway
Crawley WA 6009
Australia
[EMAIL PROTECTED]
+61 8 6488 4406

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